N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide

C24H24N4O3S — CID 164620320

IUPACN-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C24H24N4O3S/c1-16-6-5-7-20(25-16)26-22(30)19-12-15-32-23(19)27-21(29)17-8-10-18(11-9-17)24(31)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,27,29)(H,25,26,30)
InChIKeyYPZVBZNTTHCMMT-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.58
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide

N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 164620320) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID164620320
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C24H24N4O3S/c1-16-6-5-7-20(25-16)26-22(30)19-12-15-32-23(19)27-21(29)17-8-10-18(11-9-17)24(31)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,27,29)(H,25,26,30)
InChIKeyYPZVBZNTTHCMMT-UHFFFAOYSA-N
XLogP4.58
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide (CID 164620320) is N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide is Cc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is YPZVBZNTTHCMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16-6-5-7-20(25-16)26-22(30)19-12-15-32-23(19)27-21(29)17-8-10-18(11-9-17)24(31)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,27,29)(H,25,26,30).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 164620320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).